SCHEMBL21539910

SCHEMBL21539910

O=C1c2ccccc2C(c2ccc(Cl)cc2C(O)C2(CO)CC2)N1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MDM2 Q00987 5/20 0.41
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM1A O60341 1/20 0.34
KCNA5 P22460 2/20 0.34
HCRTR2 O43614 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21539942 0.91 MDM2 (0.41) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL21539944 0.84 MDM2 (0.42) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL17366169 0.74 MDM2 (0.58) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL30121977 0.68 MDM2 (0.64) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL20100175 0.67 MDM2 (0.44) MAPTMDM2ALDH1A1TP53
SCHEMBL2643902 0.63 MAPT (0.50) MAPTMDM2ALDH1A1HPGDCASP3
SCHEMBL17366155 0.63 CYP2C9 (0.56) MAPTMDM2
SCHEMBL17366151 0.63 MDM2 (0.58) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL17366174 0.63 MDM2 (0.58) MAPTMDM2ALDH1A1HTTNPSR1
SCHEMBL17366170 0.63 MDM2 (0.64) MAPTMDM2ALDH1A1HTTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed